N,N-dichloro-1,3,5-triazin-2-amine

C3H2Cl2N4 — CID 22149670

IUPACN,N-dichloro-1,3,5-triazin-2-amine
SMILESClN(Cl)c1ncncn1
InChIInChI=1S/C3H2Cl2N4/c4-9(5)3-7-1-6-2-8-3/h1-2H
InChIKeyLOPXPCGSLMXROF-UHFFFAOYSA-N
MW164.98 g/mol
LogP0.99
Rot. Bonds1

About N,N-dichloro-1,3,5-triazin-2-amine

N,N-dichloro-1,3,5-triazin-2-amine (PubChem CID 22149670) has the molecular formula C3H2Cl2N4 and a molecular weight of 164.98 g/mol. Its IUPAC name is N,N-dichloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-dichloro-1,3,5-triazin-2-amine
PubChem CID22149670
Molecular FormulaC3H2Cl2N4
Molecular Weight164.98 g/mol
Exact Mass163.97
IUPAC NameN,N-dichloro-1,3,5-triazin-2-amine
SMILESClN(Cl)c1ncncn1
InChIInChI=1S/C3H2Cl2N4/c4-9(5)3-7-1-6-2-8-3/h1-2H
InChIKeyLOPXPCGSLMXROF-UHFFFAOYSA-N
XLogP0.99
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.98
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dichloro-1,3,5-triazin-2-amine?
The IUPAC name of N,N-dichloro-1,3,5-triazin-2-amine (CID 22149670) is N,N-dichloro-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-dichloro-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-dichloro-1,3,5-triazin-2-amine is ClN(Cl)c1ncncn1.
What is the InChIKey of N,N-dichloro-1,3,5-triazin-2-amine?
The InChIKey is LOPXPCGSLMXROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl2N4/c4-9(5)3-7-1-6-2-8-3/h1-2H.
What are the key properties of N,N-dichloro-1,3,5-triazin-2-amine?
N,N-dichloro-1,3,5-triazin-2-amine has a molecular weight of 164.98 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 22149670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).